N-(3-amino-2,2-dimethyl-1,1-dioxospiro[1,4-thiazinane-5,4'-2,3-dihydrochromene]-6'-yl)pyrazolo[1,5-a]pyridine-2-carboxamide

C22H25N5O4S — CID 123655041

IUPACN-(3-amino-2,2-dimethyl-1,1-dioxospiro[1,4-thiazinane-5,4'-2,3-dihydrochromene]-6'-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCC1(C)C(N)NC2(CCOc3ccc(NC(=O)c4cc5ccccn5n4)cc32)CS1(=O)=O
InChIInChI=1S/C22H25N5O4S/c1-21(2)20(23)25-22(13-32(21,29)30)8-10-31-18-7-6-14(11-16(18)22)24-19(28)17-12-15-5-3-4-9-27(15)26-17/h3-7,9,11-12,20,25H,8,10,13,23H2,1-2H3,(H,24,28)
InChIKeyNLIKVKRKJDHHJI-UHFFFAOYSA-N
MW455.54 g/mol
LogP1.65
Rot. Bonds2

About N-(3-amino-2,2-dimethyl-1,1-dioxospiro[1,4-thiazinane-5,4'-2,3-dihydrochromene]-6'-yl)pyrazolo[1,5-a]pyridine-2-carboxamide

N-(3-amino-2,2-dimethyl-1,1-dioxospiro[1,4-thiazinane-5,4'-2,3-dihydrochromene]-6'-yl)pyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 123655041) has the molecular formula C22H25N5O4S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethyl-1,1-dioxospiro[1,4-thiazinane-5,4'-2,3-dihydrochromene]-6'-yl)pyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethyl-1,1-dioxospiro[1,4-thiazinane-5,4'-2,3-dihydrochromene]-6'-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID123655041
Molecular FormulaC22H25N5O4S
Molecular Weight455.54 g/mol
Exact Mass455.16
IUPAC NameN-(3-amino-2,2-dimethyl-1,1-dioxospiro[1,4-thiazinane-5,4'-2,3-dihydrochromene]-6'-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCC1(C)C(N)NC2(CCOc3ccc(NC(=O)c4cc5ccccn5n4)cc32)CS1(=O)=O
InChIInChI=1S/C22H25N5O4S/c1-21(2)20(23)25-22(13-32(21,29)30)8-10-31-18-7-6-14(11-16(18)22)24-19(28)17-12-15-5-3-4-9-27(15)26-17/h3-7,9,11-12,20,25H,8,10,13,23H2,1-2H3,(H,24,28)
InChIKeyNLIKVKRKJDHHJI-UHFFFAOYSA-N
XLogP1.65
TPSA127.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 20930304
2-[(4R)-5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl]-1-pyrazolo[1,5-a]pyridin-2-ylethanone
CID 158858114
N-[4-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 5309237
N-(3-acetylphenyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 5309459
N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 51408989
N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl)-4-chloro-1-methylpyrazole-3-carboxamide
CID 123705785
N-[(4aS,11bR)-2-amino-3,11b-dimethyl-4,4-dioxo-5,6-dihydro-4aH-[1]benzoxepino[5,4-e][1,2,4]thiadiazin-10-yl]pyridine-2-carboxamide
CID 121264054
N-[(4R)-3'-amino-2'-methyl-1',1'-dioxospiro[2,3-dihydrochromene-4,5'-6H-1,2,4-thiadiazine]-6-yl]-5-methoxypyrazine-2-carboxamide
CID 122535435
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110426437
N-[2-amino-5-(4-fluorophenyl)phenyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 59737230
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-chloropyrazole-3-carboxamide
CID 123843561
N-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 166388004

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethyl-1,1-dioxospiro[1,4-thiazinane-5,4'-2,3-dihydrochromene]-6'-yl)pyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethyl-1,1-dioxospiro[1,4-thiazinane-5,4'-2,3-dihydrochromene]-6'-yl)pyrazolo[1,5-a]pyridine-2-carboxamide (CID 123655041) is N-(3-amino-2,2-dimethyl-1,1-dioxospiro[1,4-thiazinane-5,4'-2,3-dihydrochromene]-6'-yl)pyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethyl-1,1-dioxospiro[1,4-thiazinane-5,4'-2,3-dihydrochromene]-6'-yl)pyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethyl-1,1-dioxospiro[1,4-thiazinane-5,4'-2,3-dihydrochromene]-6'-yl)pyrazolo[1,5-a]pyridine-2-carboxamide is CC1(C)C(N)NC2(CCOc3ccc(NC(=O)c4cc5ccccn5n4)cc32)CS1(=O)=O.
What is the InChIKey of N-(3-amino-2,2-dimethyl-1,1-dioxospiro[1,4-thiazinane-5,4'-2,3-dihydrochromene]-6'-yl)pyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is NLIKVKRKJDHHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4S/c1-21(2)20(23)25-22(13-32(21,29)30)8-10-31-18-7-6-14(11-16(18)22)24-19(28)17-12-15-5-3-4-9-27(15)26-17/h3-7,9,11-12,20,25H,8,10,13,23H2,1-2H3,(H,24,28).
What are the key properties of N-(3-amino-2,2-dimethyl-1,1-dioxospiro[1,4-thiazinane-5,4'-2,3-dihydrochromene]-6'-yl)pyrazolo[1,5-a]pyridine-2-carboxamide?
N-(3-amino-2,2-dimethyl-1,1-dioxospiro[1,4-thiazinane-5,4'-2,3-dihydrochromene]-6'-yl)pyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 1.65, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethyl-1,1-dioxospiro[1,4-thiazinane-5,4'-2,3-dihydrochromene]-6'-yl)pyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 123655041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).